Geometry & MOs

Info

ID:	187515
PubChem CID:	77583417
Reduced:	N2O3C8H12 (2)
Stoich.:	A2B3C8D12 (2)
Weight, g/mol:	420.23006
ΔH_f, kcal/mol:	-195.74
Dipole, Da:	4.99
IP(EA), eV:	-9.51(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-[(4-hydroxyphenyl)-(2,2,6,6-tetramethyloxan-4-ylidene)methyl]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N)OC(=O)C=CC(=O)ON2CCC(CC2)C(=O)N

DOS

IR

Vibrations